SCHEMBL1363740

SCHEMBL1363740

CC[N+]1(C(=O)[O-])CC2(CC2)C[C@](C(=O)O)(C(C)(C)C)[C@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
ADAM10 O14672 4/20 0.38
MMP2 P08253 4/20 0.38
ERBB2 P04626 3/20 0.38
MMP9 P14780 3/20 0.38
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
USP2 O75604 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP1A2 P05177 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1364550 0.66 ADAM10 (0.45) KMT2AADAM10MMP2ERBB2MMP9
SCHEMBL7832503 0.60 MAPK1 (0.59) KMT2ALMNATSHRMAPTMEN1
SCHEMBL13448477 0.59 KMT2A (0.57) KMT2ALMNATSHRMAPTMEN1
SCHEMBL12781874 0.59 MAPT (0.70) KMT2ALMNAMAPTRAB9AMEN1
SCHEMBL8241506 0.59 MAPK1 (0.66) KMT2ALMNATSHRMAPTPOLB
SCHEMBL16356982 0.59 TDP1 (0.73) KMT2AADAM10MMP2ERBB2TSHR
SCHEMBL1365260 0.58 ADAM10 (0.78) KMT2AADAM10MMP2ERBB2MMP9
SCHEMBL5131030 0.58 ADAM10 (0.78) KMT2AADAM10MMP2ERBB2MMP9
SCHEMBL1365259 0.58 ADAM10 (0.78) KMT2AADAM10MMP2ERBB2MMP9
SCHEMBL13945692 0.58 ME2 (0.64) KMT2ALMNATSHRMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 US disclosed
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION (US) 2014-07-03 US disclosed
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION 2011-11-24 US disclosed
US-8039471-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2011-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 KMT2A 1125/4885ADAM10 29/4885MMP2 23/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 KMT2A 1125/4885ADAM10 29/4885MMP2 23/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.